| SpectraBase Compound ID | KRvZhQqSGLI |
|---|---|
| InChI | InChI=1S/C12H20Cl2O4/c1-2-3-4-5-6-7-17-11(15)8-12(16)18-9-10(13)14/h10H,2-9H2,1H3 |
| InChIKey | UPSFVOVWXAXHHD-UHFFFAOYSA-N |
| Mol Weight | 299.19 g/mol |
| Molecular Formula | C12H20Cl2O4 |
| Exact Mass | 298.073865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9OZrrj2GBxo |
|---|---|
| Name | Malonic acid, 2,2-dichloroethyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.073864520 u |
| Formula | C12H20Cl2O4 |
| InChI | InChI=1S/C12H20Cl2O4/c1-2-3-4-5-6-7-17-11(15)8-12(16)18-9-10(13)14/h10H,2-9H2,1H3 |
| InChIKey | UPSFVOVWXAXHHD-UHFFFAOYSA-N |
| SMILES | C(OCC(Cl)Cl)(CC(OCCCCCCC)=O)=O |